Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.0626 -0.0176 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3793 -0.2804 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 -0.1287 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 0.1910 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1903 0.3070 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 0.6146 -1.4213 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 0.0769 0.7808 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 1.0843 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0957 -0.4540 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5426 -0.5313 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 0.3798 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5873 -1.3204 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6290 -0.3069 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 0.3868 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8795 -0.0012 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers